PowDLL is a.NET dynamic link library used for the interconversion procedure between variable formats of Powder X-Ray files. PowDLL Converter PowDLL Converter 2.2 PowDLL is a.NET dynamic link library used for the interconversion procedure between variable formats of Powder X-Ray files. The DLL is capable of handling the most common file formats (binary and ASCII).
Vendor | Data Format | Required Parameter Files | Optional Parameter Files |
ACD/Labs | *.spectrus, *.gnr, *.esp, *.txt, *.smp | ||
Acorn NMR, Inc. | *.fid, *.nmr, *.2d | ||
Agilent (Varian) | data, *.fdf, fid0001.fdf, *.txt, fid, phasefile, data* (VNMR, VnmrJ, SpinSight) | acq, proc, procpar | acq_2, text |
ASCIIa | *.txt; *.prn, *.csv, *.asc | ||
Bruker | *.ser, *.rr, *.fid, *.1r, *.1i, *.2rr, *.* (DISNMR, UXNMR, XWINNMR, WinNMR, TopSpin) | acqus, procs, acqu2, proc2s, *.fqs, *.fa1, *.fa2, *.fp1, *.fp2 | title, intrng, *.tit, *.ti2 |
Felix | *.* | ||
Galactic | *.spc | ||
Gaussian Output | *.log, *.out | ||
GE | *.raw, *.* (Nicolet) | ||
*.* (Omega) | |||
JCAMP | *.dx; *.jdx | ||
JEOL Ltd. | *.als, *.jdf, *.nmfid, *.nmf, *.bin, *.nmdata, *.nmd, *.gxd, *.* (Alpha, Generic, Delta, Lambda) | *.gxp, *.hdr | exp.param, exp.par |
Lybrics | *.* | ||
Magritek | *.1d; *.2d | ||
MSI Felix | *.* | ||
Nanalysis | *.dx | ||
Nicolet | *.dat | ||
NUTS | *.* | ||
Oxford Instruments | *.fid | ||
QOneTec | *.nmr | ||
Tecmag | *.tnt, *.* (MacNMR) | ||
Thermo Scientifica | *.spc | ||
picoSpin (*.jdx) |
a File export is also supported (in the case of JCAMP, for 1D NMR only).
Vendor | Data Format | Extension | Comments |
---|---|---|---|
ACD/Labs | ACD/Spectrus ACD/SpecManager | *.spectrus, *.esp | |
SCIEX | Analyst | *.wiff, *.wiff.scan | Single mass spectra, LC-MS and most LC-MSn imported. Splitter available. UV data not currently imported. LightSight—Spectra are supported via export to NetCDF. |
Analyst QS | *.wiff | Single mass spectra, LC-MS and most LC-MSn imported. Splitter available. | |
Analyst TF | *.wiff | ||
Agilent | 1100 Series LC/MSD Quad and Ion Trap Systems | *.ms, *.yep | DAD data and single wavelength chromatograms. Splitter available. |
ChemStation | *.ms | Splitter available. | |
LC TOF | *.wiff | ||
MassHunter (6000 series) | *.bin | Entire *.D folder should be used. Agilent component requires Microsoft .NET version 2. DAD can be imported and MS/MS split controlled. | |
OpenLab Rev. C.01.07, C.01.08, C.01.09 | *.D | UV, LC-UV and LC-MS Entire *.D folder should be used *.ms, *.ch, *.uv | |
Applied Biosystems | Mariner Data Explorer ASCII LC/MS | *.txt | LC-MS data only. |
Bruker and Agilent | Agilent or Bruker LC/MS Ion Trap | *.yep | LC-MS and DAD data. |
Bruker | Compass (accurate mass data) | *.d | Entire *.D folder should be used. Bruker component requires Microsoft .NET version 3.5. Possible issue noted for MaXis Impact data. |
Hitachi | LIT–TOF | *.dat | Import no longer supported |
M–8000 and D–7000 | *.msd; *.dad | LC-MS and DAD data. | |
JEOL (Japan) | JEOL-DX | *.jsp, *.jpf, *.jmc | Single mass spectra and chromatogram curves. |
JEOL K9 | *.spe | LC(GC)-MS data. | |
JEOL XMS | *.dat | GC-MS data. | |
LECO Corporation | ChromaTOF-HRT™ for Citius™ (LC) and Pegasus® (GC) HRTs | *.smp | GC/MS or LC/MS data; LC/MS with in-source CID provides separate precursor and fragment ion (isCID) channels; LECO GC-TOF MS data is supported. |
Matlab/Eigenvector Research | DSO format a | *.mat | Single mass spectra and LC(GC)-MS data. |
National Institute of Standards and Technology | NIST MS Software | *.msp | Uses Lib2NIST to convert .msp to supported format (.hpj or .sdf). |
NIST SDF Library | *.sdf | Splitter available. | |
PerkinElmer | TOFData | *.tofdata* | |
TOFData Centroid | *.tofline | ||
SCIEX | PE SCIEX API to Piff | *.~pi, *.~piff | |
Shimadzu Corporation | LCMS-IT-TOF | *.lcd | LC-MS and LC-MSn data only. Requires vendor software on same computer. |
GCMSsolution | *.qgd | GC-MS data | |
LCMSsolution | *.qld | DAD data and single wavelength chromatograms. May require vendor software on same computer. | |
LabSolutions | *.lcd, *.qgd | ioModule supports QTOF data and TIC or SIM traces. | |
Thermo Scientific | Xcalibur | *.raw | Data splitting by Scan Filter parameters is available. |
Galactic | *.spc | Export is available for single MS only. | |
Unidata | netCDF | *.cdf, *.nc | Splitter available. |
Varian | 1200 | *.dat | Splitter available. |
XMS | *.xms, *.sms | Splitter available. | |
Saturn 2000 | *.sms | Splitter available. | |
Waters Corporation | MassLynx | *.raw | All files in the folder containing the _functns.inf file are necessary for data import. Splitter available. |
Micromass OpenLynx | *.rpt | Splitter available | |
Millennium32 (2D and 3D PDA data) | Import is no longer supported | ||
Empower 2 and 3 (2D and 3D PDA data) | via Connect to1 or with help of ACD/Empower Add-on | ||
Empower 2 and 3 (3D MS data) | LC-MS data. via Connect to1 or with help of ACD/Empower Add-on | ||
UNIFI | via Connect to1 | ||
Open Source | ASCII a | *.txt | Single MS only. |
JCAMP a | *.dx, *.jdx | Splitter available. | |
mzML | |||
netCDF a | *.cdf, *.nc | Single MS and LC(GC)-MS data. |
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a File export is also supported
1 Connect to utility requires vendor software on same computer. It doesn’t work in Citrix.
Vendor | Data Format | Extension | Comments |
---|---|---|---|
ACD/Labs | ACD/Spectrus ACD/SpecManager | *.spectrus *.esp | |
Matrix a | *.txt | ||
Open Source | ASCII a | *.txt; *.prn; *.csv; *.asc | |
Agilent | 1100 Series LC/MSD Quad and Ion Trap Systems | *.ms, *.yep | UV, LC-UV and LC-MS |
ChemStation Rev. B.02.01, B.03.01, B.04.01, B.04.02, B.04.03, C.01.04 | *.D | UV, LC-UV and LC-MS Entire *.D folder should be used *.ms, *.ch, *.uv | |
Open Lab C v.1.04 | *.D | UV, LC-UV and LC-MS Entire *.D folder should be used *.ms, *.ch, *.uv | |
Open Lab Rev. C.01.07, C.01.08, C.01.09 | *.D | UV, LC-UV and LC-MS Entire *.D folder should be used *.ms, *.ch, *.uv | |
EZChrom | *.dat | UV traces only. Requires vendor software on same computer. | |
AB SCIEX | Analyst | *.wiff | LC-UV and LC-MS |
Bruker and Agilent | Agilent or Bruker LC/MS Ion Trap | *.yep | LC-UV and LC-MS |
Bruker | Compass (accurate mass data) | *.D | LC-MS, LC-UV, UV Entire *.D folder should be used. |
MATLAB | DSO a | *.mat | |
PerkinElmer | TotalChrom™ | *.raw | Import was supported via Connect to2 until ACD/Labs products v. 2018 |
Pic Solution | *.dat.csv | LC traces | |
Shimadzu Corporation | LCMS-IT-TOF | *.lcd | LC-MS and LC-UV1 Requires vendor software on same computer. |
LCMSsolution | *.qld | LC-MS, LC-UV and UV traces May require vendor software on same computer | |
Thermo Scientific | Atlas | PDA and DAD traces via Connect to2, or using an ACD/Atlas Add-on | |
Xcalibur | *.raw | LC-MS, LC-UV and UV traces | |
Chromeleon 6; 7 | UV and LC-UV, via Connect to2, or using an ACD/Chromeleon Add-on | ||
Generalized Analytical Markup Language Hierarchy (GAML) | *.gaml | LC-UV and LC-MS data | |
Unidata | netCDF | *.cdf, *.nc | LC-MS, LC-UV and UV traces |
Waters Corporation | MassLynx | *.raw | LC-UV and LC-MS |
Micromass OpenLynx | *.rpt | LC-UV and LC-MS | |
Empower LCUV data | *.arw | LC-UV | |
Empower 2 and 3 | UV, LC-UV and LC-MS traces, via Connect to2 or using an ACD/Empower Add-on | ||
UNIFI | via Connect to2 |
a File export is also supported.
1 To import *.lcd files from version 5.42SP2, vendor software should be installed on the same computer.
2 Connect to utility requires vendor software on same computer. It doesn’t work in Citrix.
Vendor | Data Format | Extension | Comments |
---|---|---|---|
ACD/Labs | ACD/Spectrus ACD/SpecManager | *.spectrus, *.esp | |
Agilent | HP 84552A | *.wav | |
ChemStation a | *.uv | ||
Agilent (Varian) | Cary UV | *.b*; *.d* | |
ASCII single, dual and multicolumn | *.txt; *.prn; *.csv; *.asc | ||
Bruker | OPUS | *.* | |
DeltaNu | *.spc | ||
Dionex | Chromeleon a | via Connect to1 or using an ACD/Chromeleon Add-on | |
Foss NIRSystems | *.da | ||
JASCO Corporation | J-700 | *.jws | |
JCAMP, JCAMP multispectra | *.dx; *.jdx | ||
LabControl | *.uvd; *.irs | ||
MATLAB | DSO a | *.mat | |
Ocean Optics | *.* | ||
PerkinElmer Instruments | *.sp | ||
Shimadzu Corporation | IR | *.irs | |
Thermo Scientific | Galactic | *.spc | |
Mattson | *.* | ||
Nicolet OMNIC | *.spa; *.spg | ||
Waters Corporation | Empower 2 and 3 | via Connect to1 or using an ACD/Empower Add-on | |
MassLynx | *.inf |
a Diode Array Detector (DAD) support for hyphenated data.
1 Connect to utility requires vendor software on same computer. It doesn’t work in Citrix.
Vendor | Data Format |
---|---|
ACD/Labs | *.spectrus, *.esp |
ASCII single, dual and multi column | *.txt; *.prn; *.csv; *.asc |
Bruker DIFFRAC-AT | *.raw |
Bruker DIFFRAC-PLUS | *.raw |
Galactic | *.spc |
Gatan | *.dm3 |
JCAMP, JCAMP multispectra | *.dx; *.jdx |
PANalytical XRDML a | |
PowDLL b | *.* |
Sirius Analytical Instruments | |
STOE XRPD | *.raw |
TA Instruments | *.* |
a Older Philips X-Ray instrument data RD and UDF formats may be converted to the PANalytical XRDML formats with conversion software provided by PANalytical.
b NET converter for XRPD files.
Vendor | Data Format |
---|---|
ACD/Labs | *.sk2 |
Adobe Acrobat (output only) | |
Symyx | *.mol, *.sdf, *.rxn |
ChemDraw | *.chm, *.cdx |
ISIS Sketch | *.skc |
InChI | |
SMILES | |
Chemical Markup Language (output only) | *.cml |
GIF image format | *.gif |
PNG image format | *.png |
JPG image format (input only) | *.jpg |
Windows Bitmap | *.bmp, *.dib |
Paintbrush (output only) | *.pcx |
TIFF Bitmap (output only) | *.tif |
HTML (output only) | *.html |
Windows Metafile | *.wmf |
ChemSketch 1.0 (input only) | *.mst, *.rtp |
- Some file formats require the installation of ChemBasic Goodies, a separate download and installation for freeware users
- You can still input structures from unsupported formats by opening the file with another program and pasting it into ACD/ChemSketch as an OLE object
Vendor | Data Format |
---|---|
ASCIIa | *.txt; *.prn, *.csv, *.asc |
JCAMPa | *.dx; *.jdx |
Pistoia Alliance | *.helm; *.xhelm |
a File export is also supported (in the case of JCAMP, for 1D NMR only)
At ACD/Labs we strive to support future analytical data format standardization efforts, such as AnIML.
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ACD/Labs is a member of the Allotrope Partner Network participating in the creation of the Allotrope Framework. Support of the emerging Allotrope analytical data standard is a strategic development goal for ACD/Labs. Learn more here.